5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

C23H23N3O3 — CID 47800468

IUPAC5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)no1
InChIInChI=1S/C23H23N3O3/c1-16-15-21(25-29-16)22(27)24-20-11-13-26(14-12-20)23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3,(H,24,27)
InChIKeyQMLCSALLWBHHOQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.68
Rot. Bonds4

About 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 47800468) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID47800468
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)no1
InChIInChI=1S/C23H23N3O3/c1-16-15-21(25-29-16)22(27)24-20-11-13-26(14-12-20)23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3,(H,24,27)
InChIKeyQMLCSALLWBHHOQ-UHFFFAOYSA-N
XLogP3.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 108559387
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562435
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108563814
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95583405

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 47800468) is 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)no1.
What is the InChIKey of 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is QMLCSALLWBHHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-15-21(25-29-16)22(27)24-20-11-13-26(14-12-20)23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3,(H,24,27).
What are the key properties of 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47800468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).